SCHEMBL20564617

SCHEMBL20564617

CCCCCCCC/C=C\CCCCCCCCNCCN(CCO)CCNCCCCCCCC/C=C\CCCCCCCC.COS(=O)(=O)O

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.43
▸ EPHX2 P34913 2/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ CNR1 P21554 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7764267 0.86 PPARA (0.50) PPARAEPHX2CNR2TRPV1CNR1
SCHEMBL10575462 0.84 CNR1 (0.57) EPHX2CNR2TRPV1CNR1ALDH1A1
SCHEMBL28949025 0.84 CNR1 (0.57) EPHX2CNR2TRPV1CNR1ALDH1A1
SCHEMBL29986920 0.82 EPHX2 (0.52) PPARAEPHX2
SCHEMBL21981245 0.82 EPHX2 (0.52) PPARAEPHX2
SCHEMBL7624677 0.82 MEN1 (0.41) EPHX2CNR2TRPV1CNR1
SCHEMBL5880986 0.82 MEN1 (0.41) EPHX2CNR2TRPV1CNR1
SCHEMBL30211894 0.81 FAAH (0.50) PPARACNR2TRPV1
SCHEMBL11552486 0.80 EPHX2 (0.41) PPARAEPHX2CNR2TRPV1CNR1
SCHEMBL2153324 0.80 EPHX2 (0.46) PPARAEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117306248-A Concentrated softener composition 广州立白企业集团有限公司 2023-12-29 — — CN claimed
CN-117642144-A Water insoluble fibrous article comprising active agent 宝洁公司 2024-03-01 — — CN disclosed
WO-2020264240-A1 SOLID LAUNDRY SOFTENER COMPOSITION ECOLAB USA INC. (US) 2020-12-30 — — WO disclosed
CN-107267302-B Smoke reducing textile care detergent 埃科莱布美国股份有限公司 2020-03-27 — — CN disclosed
EP-3624767-A1 ACTIVE AGENT-CONTAINING FIBROUS STRUCTURE ARTICLES The Procter and Gamble Company (US) 2020-03-25 — — EP disclosed
CN-110573140-A Active agent-containing articles 宝洁公司 2019-12-13 — — CN disclosed
WO-2018213174-A1 ACTIVE AGENT-CONTAINING FIBROUS STRUCTURE ARTICLES THE PROCTER & GAMBLE COMPANY (US) 2018-11-22 — — WO disclosed
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